Materials Data on Sr(DyS2)2 by Materials Project

doi:10.17188/1316281

Title: Materials Data on Sr(DyS2)2 by Materials Project

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Abstract

Sr(DyS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.10–3.34 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.72–2.77 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.69–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SSr2Dy3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. Inmore »« less

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-980666

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Dy-S-Sr; Sr(DyS2)2; crystal structure

OSTI Identifier:: 1316281

DOI:: https://doi.org/10.17188/1316281

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                    Materials Data on Sr(DyS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316281.

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                    Materials Data on Sr(DyS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316281

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                    2020.  
"Materials Data on Sr(DyS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316281.  https://www.osti.gov/servlets/purl/1316281. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316281,

  title        = {Materials Data on Sr(DyS2)2 by Materials Project},

  
  abstractNote = {Sr(DyS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.10–3.34 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.72–2.77 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.69–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SSr2Dy3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Dy3 trigonal bipyramids.},

  doi          = {10.17188/1316281},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316281

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